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Longer titles found: Extensible Computational Chemistry Environment (view), PSI (computational chemistry) (view), PLATO (computational chemistry) (view), ACES (computational chemistry) (view), Journal of Computational Chemistry (view), Constraint (computational chemistry) (view), Computational Chemistry List (view), Centre for Theoretical and Computational Chemistry (view), Quantum computational chemistry (view)

searching for Computational chemistry 54 found (1111 total)

alternate case: computational chemistry

Dominic Tildesley (223 words) [view diff] case mismatch in snippet view article find links to article

and moving to Imperial College London in 1996 as Professor of Computational Chemistry. He began his industrial career in 1998 when he took the role of

Enrico Clementi (653 words) [view diff] case mismatch in snippet view article find links to article

Techniques in Computational Chemistry: MOTECC-89", Springer, ISBN 978-9072199058 (1989). E. Clementi (Ed.): "Modern Techniques in Computational Chemistry: MOTECC-90"

Weston T. Borden (375 words) [view diff] case mismatch in snippet view article find links to article

Weston Thatcher Borden (born on October 13, 1943) is professor of Computational Chemistry and Welch Chair in Chemistry at the University of North Texas.

List of important publications in chemistry (3,288 words) [view diff] no match in snippet view article find links to article

This is a list of important publications in chemistry, organized by field. Some factors that correlate with publication notability include: Topic creator

Multi-configurational self-consistent field (1,118 words) [view diff] case mismatch in snippet view article find links to article

124–129. ISBN 0-19-855145-2. Jensen, Frank (2007). Introduction to Computational Chemistry. Chichester, England: John Wiley and Sons. pp. 133–158. ISBN 978-0-470-01187-4

Tinker (software) (953 words) [view diff] case mismatch in snippet view article

Relative Alchemical Free Energies using AMOEBA on GPUs". Journal of Computational Chemistry. 38 (23): 2047–2055. doi:10.1002/jcc.24853. PMC 5539969. PMID 28600826

Units of energy (884 words) [view diff] exact match in snippet view article find links to article

Hartree (the atomic unit of energy) is commonly used in the field of computational chemistry since such units arise directly from the calculation algorithms

Kenneth D. Jordan (89 words) [view diff] case mismatch in snippet view article find links to article

the Richard King Mellon Professor and Distinguished Professor of Computational Chemistry at University of Pittsburgh and an Elected Fellow of the American

Kumble R. Subbaswamy (649 words) [view diff] exact match in snippet view article find links to article

of the American Physical Society, and has research interests in computational chemistry and condensed matter physics. On June 2, 2022, Subbaswamy announced

Scientific Research Publishing (1,208 words) [view diff] no match in snippet view article find links to article

Scientific Research Publishing (SCIRP) is a predatory academic publisher of open-access electronic journals, conference proceedings, and scientific anthologies

NUPACK (975 words) [view diff] case mismatch in snippet view article find links to article

NUPACK: analysis and design of nucleic acid systems. Journal of Computational Chemistry downloads Dirks, R.M., J.S. Bois, J.M. Schaeffer, E. Winfree, and

Clémence Corminboeuf (903 words) [view diff] exact match in snippet view article find links to article

Corminboeuf (born 1977) is a Swiss chemist who is Professor of Computational chemistry at the École Polytechnique Fédérale de Lausanne. She was awarded

Schrödinger Medal (109 words) [view diff] exact match in snippet view article find links to article

theoretical and computational chemistry." 3 1992 Josef Michl "For his novel contributions to the application of theoretical and computational chemistry, including

Plutonium compounds (1,176 words) [view diff] exact match in snippet view article find links to article

characteristic example of an organoplutonium compound is plutonocene. Computational chemistry methods indicate an enhanced covalent character in the plutonium-ligand

Structural analog (502 words) [view diff] exact match in snippet view article find links to article

authors list (link) Schnecke, Volker & Boström, Jonas (2006). "Computational chemistry-driven decision making in lead generation". Drug Discovery Today

Christopher J. Cramer (1,359 words) [view diff] case mismatch in snippet view article find links to article

1997 to 2018. He is the author of the 2013 textbook Essentials of Computational Chemistry: Theories and Models. Cramer also helped pioneer the university's

Protein structure reconstruction (347 words) [view diff] case mismatch in snippet view article find links to article

full-atom protein models from reduced representations". Journal of Computational Chemistry. 29 (9): 1460–1465. doi:10.1002/jcc.20906. ISSN 1096-987X. PMC 2692024

Wiener index (1,867 words) [view diff] case mismatch in snippet view article find links to article

calculation of the distance matrix of a molecule", Journal of Computational Chemistry, 4 (1): 110–113, doi:10.1002/jcc.540040115, S2CID 122640545. Müller

Christel Marian (481 words) [view diff] exact match in snippet view article find links to article

professor and the director of the institute of theoretical and computational chemistry at the University of Düsseldorf. Marian studied chemistry in Cologne

Liu Ruozhuang (658 words) [view diff] exact match in snippet view article find links to article

of the Chinese Academy of Sciences (CAS). He was the founder of computational chemistry in China. Liu was born in Beijing, on May 25, 1925. In 1943, he

List of open-source bioinformatics software (91 words) [view diff] exact match in snippet view article find links to article

Avogadro C++ (Qt) based molecule editor and visualizer for in computational chemistry, molecular modeling, bioinformatics, materials science, and related

List of open-source bioinformatics software (91 words) [view diff] exact match in snippet view article find links to article

Avogadro C++ (Qt) based molecule editor and visualizer for in computational chemistry, molecular modeling, bioinformatics, materials science, and related

European Chemical Society (1,482 words) [view diff] case mismatch in snippet view article find links to article

the original on 26 May 2015. Retrieved 25 May 2015. "Division of Computational Chemistry". euchems.eu. Euchems. Archived from the original on 26 May 2015

Phosphorus mononitride (4,693 words) [view diff] case mismatch in snippet view article find links to article

"Multiwfn: A multifunctional wavefunction analyzer". Journal of Computational Chemistry. 33 (5): 580–592. doi:10.1002/jcc.22885. ISSN 0192-8651. PMID 22162017

Imre Gyula Csizmadia (1,632 words) [view diff] exact match in snippet view article find links to article

(Hungary). He helped the research and teaching activities of the computational chemistry group led by Béla Viskolcz at the Department of Chemical Informatics

Transition state (986 words) [view diff] case mismatch in snippet view article find links to article

p.809 ISBN 0-7167-8759-8 Frank Jensen (1999). Introduction to Computational Chemistry. England: John Wiley and Sons Ltd. Thomas A. Manz; David S. Sholl

Proteins@home (348 words) [view diff] case mismatch in snippet view article find links to article

parameter optimization, and performance of a simple model". Journal of Computational Chemistry. 29 (7): 1092–1102. doi:10.1002/jcc.20870. ISSN 1096-987X. PMID 18069664

Leticia González (369 words) [view diff] case mismatch in snippet view article find links to article

the University of Jena. In 2011, she became Full Professor for Computational Chemistry, Theoretical Chemistry and Scientific Computing at the University

Carbon trioxide (609 words) [view diff] case mismatch in snippet view article find links to article

Schleyer P. v. R. (2004). "The structure of carbonate". Journal of Computational Chemistry. 1 (2): 199–203. doi:10.1002/jcc.540010215. S2CID 98748631. Moll

Tal Institute (356 words) [view diff] case mismatch in snippet view article find links to article

Medical Engineering, Software Engineering, Computer Sciences, Computational Chemistry, and Industrial Engineering. Bachelor of Managerial Accounting

Marc Zimmer (741 words) [view diff] exact match in snippet view article find links to article

he has published over 60 research papers about cow flatulence, computational chemistry and bioluminescence in fireflies and jellyfish. Zimmer is the initiator

Preferred Networks (1,378 words) [view diff] case mismatch in snippet view article find links to article

technology, with Amano Corporation. June 1, 2021: Established Preferred Computational Chemistry as a joint venture of Preferred Networks and ENEOS Corporation

Tennessine (10,742 words) [view diff] exact match in snippet view article find links to article

Relativistic methods for chemists. Challenges and advances in computational chemistry and physics. Vol. 10. Springer Science+Business Media. ISBN 978-1-4020-9974-8

Benoît Roux (628 words) [view diff] case mismatch in snippet view article find links to article

Computational Modeling and Simulations of Biomolecular Systems. Journal of Computational Chemistry: Special Issue on Membrane Protein Simulations and Free Energy

List of GTK applications (812 words) [view diff] exact match in snippet view article find links to article

current version of GTK (maybe GTK 4) remains to be seen. Ghemical – computational chemistry software package gretl — an open-source statistical package, mainly

Magic word (1,023 words) [view diff] case mismatch in snippet view article find links to article

Ponnadurai (September 2015). "Perspectives of Virtual Conference on Computational Chemistry (VCCC-2014)". Journal of Computational Science. 10: 155. doi:10

Steven Richardson (physicist) (807 words) [view diff] exact match in snippet view article

research contributions to computational materials science and computational chemistry. Steven Leslie Richardson was born on July 22, 1953, in Brooklyn

Dispersion stabilized molecules (2,637 words) [view diff] exact match in snippet view article find links to article

protection of the molecule's reactive moiety. Advances in quantum computational chemistry methods have allowed for faster theoretical examination of dispersion

List of Iyengars (809 words) [view diff] exact match in snippet view article find links to article

number theory, and continued fractions P. T. Narasimhan pioneers of computational chemistry in India and a professor at the IIT Kanpur Kavita Ramanan - Guggenheim

ECP (444 words) [view diff] exact match in snippet view article find links to article

Apostolic Churches of Pentecost Effective Core Potential, a term in computational chemistry Electrochemical corrosion potential, an electrode potential with

Optical properties (190 words) [view diff] case mismatch in snippet view article find links to article

Non-Linear Optical Properties of Matter. Challenges and Advances in Computational Chemistry and Physics. Vol. 1. Dordrecht: Springer Netherlands. doi:10.1007/1-4020-4850-5

Max Planck Institute for Chemical Energy Conversion (399 words) [view diff] case mismatch in snippet view article find links to article

chemical catalysis. Energy Converting Enzymes (James Birrell) Computational Chemistry (Ragnar Björnsson) Biochemistry of Metalloproteins (Laure Decamps)

Organoberyllium chemistry (2,481 words) [view diff] case mismatch in snippet view article find links to article

Three - The beryllium bond", Advances in Inorganic Chemistry, Computational Chemistry, vol. 73, Academic Press, pp. 73–121, doi:10.1016/bs.adioch.2018

Tyrosine aminotransferase (965 words) [view diff] case mismatch in snippet view article find links to article

Visualization System for Exploratory Research and Analysis". Journal of Computational Chemistry. 25 (13): 1605–1612. CiteSeerX 10.1.1.456.9442. doi:10.1002/jcc

MP2 (157 words) [view diff] exact match in snippet view article find links to article

perturbation theory of the second order, a method in the field of computational chemistry MPEG-1 Audio Layer II audio compression format and .mp2 file format

Angular momentum diagrams (quantum mechanics) (1,683 words) [view diff] case mismatch in snippet view article

Electronic Structure Theory: Part 2. Applications. Theoretical and Computational Chemistry. Vol. 14. Elsevier. p. 97. ISBN 978-0-08-054047-4. M. Barysz; Y

PQS (89 words) [view diff] exact match in snippet view article find links to article

States Navy Passive Q-switching Parallel Quantum Solutions, a computational chemistry computer program The Protein Quaternary Structure Server, an important

Oxalate (1,557 words) [view diff] case mismatch in snippet view article find links to article

ab initio Study of B2F4, B2Cl4, N2O4, and C 2O2− 4". Journal of Computational Chemistry. 2: 20–29. doi:10.1002/jcc.540020106. S2CID 98744097. Dewar, Michael

Niles Pierce (628 words) [view diff] case mismatch in snippet view article find links to article

design via efficient ensemble defect optimization". Journal of Computational Chemistry. 32 (3). Wiley: 439–452. doi:10.1002/jcc.21633. ISSN 0192-8651

Mopac (85 words) [view diff] exact match in snippet view article find links to article

Expressway, State Highway Loop 1 in Austin, Texas, U.S. MOPAC, a computational chemistry program Mayor's Office for Policing and Crime, a group which oversees

Piperidine (1,468 words) [view diff] case mismatch in snippet view article find links to article

methylation on axial/equatorial equilibria in piperidines". Journal of Computational Chemistry. 19 (8): 961–976. doi:10.1002/(SICI)1096-987X(199806)19:8<961::AID-JCC14>3

Reactivity (chemistry) (1,202 words) [view diff] case mismatch in snippet view article

theory: E2–SN2 mechanistic spectrum and other concepts". Journal of Computational Chemistry. 20 (1): 114–128. doi:10.1002/(sici)1096-987x(19990115)20:1<114::aid-jcc12>3

Interaction energy (362 words) [view diff] case mismatch in snippet view article find links to article

Perturbation theory (quantum mechanics) Potential Theoretical and Computational Chemistry, 1999, Ideas of Quantum Chemistry, 2007 and Quantum Magnetic Resonance

UCC (653 words) [view diff] exact match in snippet view article find links to article

Country Code Unitary Coupled Cluster, a kind of coupled cluster in computational chemistry Unlock CPU Core, a technology in ASRock motherboards Upper camel